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CHEBI:199527 - Grincamycin E

ChEBI IDCHEBI:199527
ChEBI NameGrincamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H60O17
Net Charge0
Average Mass921.002
Monoisotopic Mass920.38305
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4cc6c(c(O)c4C5=O)C[C@@](C)(O[C@H]4CC[C@H](O[C@H]5CCC(=O)[C@H](C)O5)[C@H](C)O4)CC6=O)O[C@@H]3C)O[C@H]2C)CCC1=O
InChIInChI=1S/C49H60O17/c1-21-31(50)9-13-38(59-21)63-35-11-15-40(61-23(35)3)65-48-25(5)58-37(18-33(48)52)26-7-8-27-42(44(26)54)46(56)29-17-28-30(47(57)43(29)45(27)55)19-49(6,20-34(28)53)66-41-16-12-36(24(4)62-41)64-39-14-10-32(51)22(2)60-39/h7-8,17,21-25,33,35-41,48,52,54,57H,9-16,18-20H2,1-6H3/t21-,22-,23-,24-,25+,33+,35-,36-,37+,38-,39-,40-,41-,48+,49+/m0/s1
InChIKeyPODCUTRKQPEUAQ-YVFZMJNESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22304344)
ChEBI Ontology
Outgoing Relation(s)
Grincamycin E (CHEBI:199527) is a quinone (CHEBI:36141)
Grincamycin E (CHEBI:199527) is a tetracenes (CHEBI:51270)
IUPAC Name 
(3R)-5,10-dihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydrotetracene-1,6,11-trione
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